Ethyl Dibunate
[CAS# 5560-69-0]

Identification

• Name: Ethyl Dibunate
• Synonyms: 3,6-Ditert-Butyl-1-Naphthalenesulfonic Acid Ethyl Ester; 3,6-Ditert-Butylnaphthalene-1-Sulfonic Acid Ethyl Ester; D04089
• Molecular Formula: C₂₀H₂₈O₃S
• Molecular Weight: 348.50
• CAS Registry Number: 5560-69-0
• EINECS: 226-931-4
• SMILES: C2=C(C1=CC=C(C=C1C=C2C(C)(C)C)C(C)(C)C)[S](OCC)(=O)=O
• InChI: 1S/C20H28O3S/c1-8-23-24(21,22)18-13-16(20(5,6)7)12-14-11-15(19(2,3)4)9-10-17(14)18/h9-13H,8H2,1-7H3
• InChIKey: ZAMACTJOCIFTPJ-UHFFFAOYSA-N

Properties

• Density: 1.1±0.1g/cm³ (Cal.)
• Boiling point: 463.7±24.0°C at 760 mmHg (Cal.)
• Flash point: 234.3±22.9°C (Cal.)